COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.911  -1.552   1.888  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.680  -2.190   3.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.984  -3.682   2.482  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.092  -2.716   1.282  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.034   0.214  -1.345  1.00  0.00           C  
HETATM    6  O   UNL     1       2.570   1.928   0.175  1.00  0.00           O  
HETATM    7  N   UNL     1       6.692  -1.039  -0.135  1.00  0.00           N  
HETATM    8  C   UNL     1       7.620  -3.622  -0.109  1.00  0.00           C  
HETATM    9  C   UNL     1       7.184  -0.243   0.997  1.00  0.00           C  
HETATM   10  C   UNL     1       6.861   1.234   0.739  1.00  0.00           C  
HETATM   11  C   UNL     1       4.898   2.830   0.348  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.873  -0.975   0.847  1.00  0.00           C  
HETATM   13  C   UNL     1       3.625   2.362   1.073  1.00  0.00           C  
HETATM   14  C   UNL     1       4.465   1.206   1.641  1.00  0.00           C  
HETATM   15  C   UNL     1       4.942   0.533  -0.783  1.00  0.00           C  
HETATM   16  C   UNL     1       5.277  -0.938  -0.515  1.00  0.00           C  
HETATM   17  C   UNL     1       1.302   2.096   0.594  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.103   1.996   0.215  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.513   3.379  -0.296  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.953   3.673   0.128  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028   3.760   1.654  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.403   5.003  -0.481  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.022   0.953  -0.366  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.072  -0.363  -0.304  1.00  0.00           C  
HETATM   25  C   UNL     1       5.375   1.373   0.417  1.00  0.00           C  
HETATM   26  N   UNL     1       0.276   1.714  -0.192  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.214   0.706   0.213  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.143  -3.383   3.332  1.00  0.00           N  
HETATM   29  O   UNL     1       1.082   2.592   1.682  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.640  -1.697   3.575  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.290   0.906  -2.349  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.689   0.335  -1.356  1.00  0.00           O  
HETATM   33  O   UNL     1       7.135  -2.128  -2.266  1.00  0.00           O  
HETATM   34  O   UNL     1       9.000  -1.443  -0.792  1.00  0.00           O  
HETATM   35  S   UNL     1       7.719  -2.031  -0.974  1.00  0.00           S  
HETATM   36  H   UNL     1      -3.247  -0.775   2.266  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.024  -4.716   2.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.059  -3.503   3.030  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.628  -3.180   0.454  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.106  -2.376   0.965  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.721   0.907  -0.859  1.00  0.00           H  
HETATM   42  H   UNL     1       8.272  -4.344  -0.600  1.00  0.00           H  
HETATM   43  H   UNL     1       7.934  -3.493   0.926  1.00  0.00           H  
HETATM   44  H   UNL     1       6.592  -3.986  -0.134  1.00  0.00           H  
HETATM   45  H   UNL     1       6.693  -0.569   1.914  1.00  0.00           H  
HETATM   46  H   UNL     1       8.262  -0.370   1.092  1.00  0.00           H  
HETATM   47  H   UNL     1       7.099   1.819   1.627  1.00  0.00           H  
HETATM   48  H   UNL     1       7.452   1.594  -0.104  1.00  0.00           H  
HETATM   49  H   UNL     1       4.718   3.183  -0.668  1.00  0.00           H  
HETATM   50  H   UNL     1       5.507   3.518   0.934  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.511  -1.771   0.462  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.490  -0.206   1.310  1.00  0.00           H  
HETATM   53  H   UNL     1       3.273   3.062   1.832  1.00  0.00           H  
HETATM   54  H   UNL     1       4.955   1.444   2.585  1.00  0.00           H  
HETATM   55  H   UNL     1       3.936   0.253   1.668  1.00  0.00           H  
HETATM   56  H   UNL     1       5.471   0.871  -1.674  1.00  0.00           H  
HETATM   57  H   UNL     1       3.868   0.641  -0.935  1.00  0.00           H  
HETATM   58  H   UNL     1       5.098  -1.524  -1.416  1.00  0.00           H  
HETATM   59  H   UNL     1       4.653  -1.313   0.297  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.173   1.976   1.303  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.849   4.133   0.125  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.443   3.399  -1.384  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.606   2.874  -0.222  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.429   4.602   2.000  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.064   3.901   1.960  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.643   2.838   2.090  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.350   4.941  -1.568  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.429   5.212  -0.178  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.750   5.802  -0.130  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.454  -1.133  -0.767  1.00  0.00           H  
HETATM   71  H   UNL     1       0.450   1.252  -1.027  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.503   1.236   0.972  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.478  -3.971   4.026  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.761   1.641  -2.011  1.00  0.00           H  
HETATM   75  S   UNL     1      -5.975  -1.134  -2.111  1.00  0.00           S  
HETATM   76  O   UNL     1      -5.122  -2.230  -2.413  1.00  0.00           O  
HETATM   77  O   UNL     1      -6.871  -1.654  -0.995  1.00  0.00           O  
HETATM   78  O   UNL     1      -6.882  -0.623  -3.078  1.00  0.00           O  
HETATM   79  H   UNL     1      -7.442  -2.388  -1.259  1.00  0.00           H  
CONECT    1   12    4    2   36                                       
CONECT    2    1   30   30   28                                       
CONECT    3    4   28   37   38                                       
CONECT    4    1    3   39   40                                       
CONECT    5   24   31   41   75                                       
CONECT    6   13   17                                                 
CONECT    7   16   35    9                                            
CONECT    8   35   42   43   44                                       
CONECT    9    7   10   45   46                                       
CONECT   10   25    9   47   48                                       
CONECT   11   25   13   49   50                                       
CONECT   12   24    1   51   52                                       
CONECT   13   11   14    6   53                                       
CONECT   14   25   13   54   55                                       
CONECT   15   16   25   56   57                                       
CONECT   16   15    7   58   59                                       
CONECT   17   26    6   29   29                                       
CONECT   18   19   26   23   60                                       
CONECT   19   20   18   61   62                                       
CONECT   20   21   22   19   63                                       
CONECT   21   20   64   65   66                                       
CONECT   22   20   67   68   69                                       
CONECT   23   18   32   32   27                                       
CONECT   24   27    5   12   70                                       
CONECT   25   15   11   10   14                                       
CONECT   26   18   17   71                                            
CONECT   27   23   24   72                                            
CONECT   28    2    3   73                                            
CONECT   29   17   17                                                 
CONECT   30    2    2                                                 
CONECT   31    5   74                                                 
CONECT   32   23   23                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35    8   33   33    7                                       
CONECT   35   34   34                                                 
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75    5   76   76   77                                       
CONECT   75   78   78                                                 
CONECT   76   75   75                                                 
CONECT   77   75   79                                                 
CONECT   78   75   75                                                 
CONECT   79   77                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
